N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide

C19H33N5O2 — CID 136520307

IUPACN-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCCCCn1cc(CNC(=O)N2CCN(C3CCOCC3)CC2)c(C)n1
InChIInChI=1S/C19H33N5O2/c1-3-4-7-24-15-17(16(2)21-24)14-20-19(25)23-10-8-22(9-11-23)18-5-12-26-13-6-18/h15,18H,3-14H2,1-2H3,(H,20,25)
InChIKeyUPYVGIVDPSFRND-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.00
Rot. Bonds6

About N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide

N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 136520307) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide
PubChem CID136520307
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCCCCn1cc(CNC(=O)N2CCN(C3CCOCC3)CC2)c(C)n1
InChIInChI=1S/C19H33N5O2/c1-3-4-7-24-15-17(16(2)21-24)14-20-19(25)23-10-8-22(9-11-23)18-5-12-26-13-6-18/h15,18H,3-14H2,1-2H3,(H,20,25)
InChIKeyUPYVGIVDPSFRND-UHFFFAOYSA-N
XLogP2.00
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide (CID 136520307) is N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide is CCCCn1cc(CNC(=O)N2CCN(C3CCOCC3)CC2)c(C)n1.
What is the InChIKey of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The InChIKey is UPYVGIVDPSFRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-3-4-7-24-15-17(16(2)21-24)14-20-19(25)23-10-8-22(9-11-23)18-5-12-26-13-6-18/h15,18H,3-14H2,1-2H3,(H,20,25).
What are the key properties of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 136520307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).